[1-[(1E)-cycloocten-1-yl]-2-(2,6-dichlorophenyl)ethyl]hydrazine

C16H22Cl2N2 — CID 106648752

IUPAC[1-[(1E)-cycloocten-1-yl]-2-(2,6-dichlorophenyl)ethyl]hydrazine
SMILESNNC(Cc1c(Cl)cccc1Cl)/C1=C/CCCCCC1
InChIInChI=1S/C16H22Cl2N2/c17-14-9-6-10-15(18)13(14)11-16(20-19)12-7-4-2-1-3-5-8-12/h6-7,9-10,16,20H,1-5,8,11,19H2/b12-7+
InChIKeyAFFWFRCIUUXCEN-KPKJPENVSA-N
MW313.27 g/mol
LogP4.65
Rot. Bonds4

About [1-[(1E)-cycloocten-1-yl]-2-(2,6-dichlorophenyl)ethyl]hydrazine

[1-[(1E)-cycloocten-1-yl]-2-(2,6-dichlorophenyl)ethyl]hydrazine (PubChem CID 106648752) has the molecular formula C16H22Cl2N2 and a molecular weight of 313.27 g/mol. Its IUPAC name is [1-[(1E)-cycloocten-1-yl]-2-(2,6-dichlorophenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-[(1E)-cycloocten-1-yl]-2-(2,6-dichlorophenyl)ethyl]hydrazine
PubChem CID106648752
Molecular FormulaC16H22Cl2N2
Molecular Weight313.27 g/mol
Exact Mass312.12
IUPAC Name[1-[(1E)-cycloocten-1-yl]-2-(2,6-dichlorophenyl)ethyl]hydrazine
SMILESNNC(Cc1c(Cl)cccc1Cl)/C1=C/CCCCCC1
InChIInChI=1S/C16H22Cl2N2/c17-14-9-6-10-15(18)13(14)11-16(20-19)12-7-4-2-1-3-5-8-12/h6-7,9-10,16,20H,1-5,8,11,19H2/b12-7+
InChIKeyAFFWFRCIUUXCEN-KPKJPENVSA-N
XLogP4.65
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.27
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(4-chlorophenyl)-1-[(1E)-cycloocten-1-yl]ethyl]hydrazine
CID 106648598
[2-(4-bromophenyl)-1-(cyclohepten-1-yl)ethyl]hydrazine
CID 106648573
[1-(cyclohexen-1-yl)-2-(2-fluorophenyl)ethyl]hydrazine
CID 106648715
[1-[(1E)-cycloocten-1-yl]-3-(3-methylphenyl)propyl]hydrazine
CID 106650129
[1-[(1E)-cycloocten-1-yl]-2-(3,5-difluorophenyl)ethyl]hydrazine
CID 106648712
[1-(cyclohepten-1-yl)-2-(3,5-difluorophenyl)ethyl]hydrazine
CID 106648713
[1-(cyclohexen-1-yl)-2-(3-methoxyphenyl)ethyl]hydrazine
CID 106648692
[1-(cyclohepten-1-yl)-3-methylbutyl]hydrazine
CID 106648613
[1-(cyclohexen-1-yl)-2-thiophen-3-ylethyl]hydrazine
CID 106650433
[1-(cyclohepten-1-yl)-3-(4-methylphenyl)propyl]hydrazine
CID 106650193
2-(cycloocten-1-yl)-2-hydrazinyl-N,N-dimethylethanamine
CID 106649237
[1-(cyclohepten-1-yl)-2-cycloheptylethyl]hydrazine
CID 106650401

Frequently Asked Questions

What is the IUPAC name of [1-[(1E)-cycloocten-1-yl]-2-(2,6-dichlorophenyl)ethyl]hydrazine?
The IUPAC name of [1-[(1E)-cycloocten-1-yl]-2-(2,6-dichlorophenyl)ethyl]hydrazine (CID 106648752) is [1-[(1E)-cycloocten-1-yl]-2-(2,6-dichlorophenyl)ethyl]hydrazine.
What is the SMILES notation for [1-[(1E)-cycloocten-1-yl]-2-(2,6-dichlorophenyl)ethyl]hydrazine?
The canonical SMILES for [1-[(1E)-cycloocten-1-yl]-2-(2,6-dichlorophenyl)ethyl]hydrazine is NNC(Cc1c(Cl)cccc1Cl)/C1=C/CCCCCC1.
What is the InChIKey of [1-[(1E)-cycloocten-1-yl]-2-(2,6-dichlorophenyl)ethyl]hydrazine?
The InChIKey is AFFWFRCIUUXCEN-KPKJPENVSA-N. The full InChI is InChI=1S/C16H22Cl2N2/c17-14-9-6-10-15(18)13(14)11-16(20-19)12-7-4-2-1-3-5-8-12/h6-7,9-10,16,20H,1-5,8,11,19H2/b12-7+.
What are the key properties of [1-[(1E)-cycloocten-1-yl]-2-(2,6-dichlorophenyl)ethyl]hydrazine?
[1-[(1E)-cycloocten-1-yl]-2-(2,6-dichlorophenyl)ethyl]hydrazine has a molecular weight of 313.27 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1E)-cycloocten-1-yl]-2-(2,6-dichlorophenyl)ethyl]hydrazine is sourced from PubChem (CID 106648752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).